 | Nanotech 2011 Vol. 2
Nanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Chapter 9: Nano & Micro: Computational Methods, Simulation & Software Tools |
Smectic structure of Nano Crystalline Cellulose Established by Large-Scale Parallel Molecular Dynamic Simulations | |
| Authors: | Y. Kadiri, D. Simon, G. Picard |
| Affilation: | Ahuntsic College, CA |
| Pages: | 631 - 634 |
| Keywords: | nano crystalline cellulose, structural and optical properties, large-scale parallel molecular dynamics |
| Abstract: | Structural and optical properties of Nano Crystalline Cellulose (NCC) in liquid solutions and in solid films were investigated by large-scale parallel molecular dynamics (MD) simulation using empirical Coulombian interaction potentials. Our calculations give a good description of the self-organization of NCC in liquid solution and in solid films and allow us to question the NCC nematic structure theory and propose an alternative structure theory. |
| ISBN: | 978-1-4398-7139-3 |
| Pages: | 854 |
| Hardcopy: | $199.95 |
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